CS-1051077
Methyl 3-bromo-1H-pyrazole-4-carboxylate
Manufacturer: ChemScene
CAS Number: 1785612-14-7
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₅H₅BrN₂O₂
Molecular Weight
205.01
Synonyms
None
SMILES
O=C(OC)C1=CNN=C1Br
Tpsa
54.98
Logp
0.9588
H Acceptors
3
H Donors
1
Rotatable Bonds
1
SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅H₅BrN₂O₂
Molecular Weight: 205.01
Synonyms: None
SMILES: O=C(OC)C1=CNN=C1Br
Tpsa: 54.98
Logp: 0.9588
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅H₅BrN₂O₂
Molecular Weight:
205.01
Synonyms:
None
SMILES:
O=C(OC)C1=CNN=C1Br
Tpsa:
54.98
Logp:
0.9588
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₈BrFO₂
Molecular Weight: 247.06
Synonyms: None
SMILES: O=C(O)C(C1=CC=C(Br)C(F)=C1)C
Tpsa: 37.3
Logp: 2.7763
H Acceptors: 1
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₈BrFO₂
Molecular Weight:
247.06
Synonyms:
None
SMILES:
O=C(O)C(C1=CC=C(Br)C(F)=C1)C
Tpsa:
37.3
Logp:
2.7763
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₃BF₃NO₃
Molecular Weight: 263.02
Synonyms: None
SMILES: FC(F)(F)C1=NC=C(O1)B2OC(C)(C)C(O2)(C)C
Tpsa: 44.49
Logp: 1.9926
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₃BF₃NO₃
Molecular Weight:
263.02
Synonyms:
None
SMILES:
FC(F)(F)C1=NC=C(O1)B2OC(C)(C)C(O2)(C)C
Tpsa:
44.49
Logp:
1.9926
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₈BNO₂S
Molecular Weight: 239.14
Synonyms: None
SMILES: N=1C=C(SC1CC)B2OC(C)(C)C(O2)(C)C
Tpsa: 31.35
Logp: 2.0047
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₈BNO₂S
Molecular Weight:
239.14
Synonyms:
None
SMILES:
N=1C=C(SC1CC)B2OC(C)(C)C(O2)(C)C
Tpsa:
31.35
Logp:
2.0047
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
2